1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

C15H14ClF3N2O2 — CID 109131188

IUPAC1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O2/c1-2-5-20-13(22)9-7-10(9)14(23)21-12-4-3-8(16)6-11(12)15(17,18)19/h2-4,6,9-10H,1,5,7H2,(H,20,22)(H,21,23)
InChIKeyOQQMEPFHXXCKLY-UHFFFAOYSA-N
MW346.74 g/mol
LogP3.24
Rot. Bonds5

About 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (PubChem CID 109131188) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
PubChem CID109131188
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC Name1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O2/c1-2-5-20-13(22)9-7-10(9)14(23)21-12-4-3-8(16)6-11(12)15(17,18)19/h2-4,6,9-10H,1,5,7H2,(H,20,22)(H,21,23)
InChIKeyOQQMEPFHXXCKLY-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131132
2-[4-chloro-2-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 43088798
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131098
1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131195
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
methyl 2-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131158
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696868

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (CID 109131188) is 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is C=CCNC(=O)C1CC1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The InChIKey is OQQMEPFHXXCKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c1-2-5-20-13(22)9-7-10(9)14(23)21-12-4-3-8(16)6-11(12)15(17,18)19/h2-4,6,9-10H,1,5,7H2,(H,20,22)(H,21,23).
What are the key properties of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide has a molecular weight of 346.74 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).